New course for 2010

Course Description

This course provides an introduction to SYBYL-X, with an emphasis on small molecules. Learn how to view, build, and prepare ligands; work with spreadsheets, and optimize geometry using energy minimization.

Who Should Attend

Researchers who want to use molecular modeling on small molecules. Molecular modelers and chemists who are new to SYBYL-X.  This course (or other previous experience) is a pre-requisite for many of our other training courses.

Requirements

No prior experience with SYBYL-X is required.

What You Will Learn

• View 3D structures of molecules, and create views for presentations.
• Get your molecules into SYBYL-X using common file formats.
• Make appropriate choices for energy minimization.
• Generate reasonable 3D geometries for your molecules.
• Get your ligands ready for use in molecular modeling applications.
  

Course Topics

Course Objectives

1. Get molecules into SYBYL-X, and save your work.
2. Rotate and translate a molecule into a preferred orientation, and set display options to reproduce a given structure.
3. Create a spreadsheet and identify specific rows in the spreadsheet matching specified criteria.
4. Build molecules that have the correct atom and bond arrangement.
5. Filter out undesirable compounds, generate tautomers, expand stereomers and generate 3D coordinates for a collection of molecules.
6. Minimize energy of molecules to specified termination criteria using an appropriate force field.
   

Modules Used

SYBYL-X.

Course Length

1 Day

Pricing Information

Tripos, Inc. reserves the right to modify course content at any time without prior notice.